O-methyl-tri-N-acetyl-beta-chitotrioside
TL;DR: O-methyl-tri-N-acetyl-beta-chitotrioside (CAS 28135-52-6) is a chemical compound with molecular formula C25H43N3O16 and molecular weight 641.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: O-Methyl-tri-N-acetyl-beta-chitotrioside, Sid 770407, methyl 2-(acetylamino)-2-deoxy-, A-d-glucopyranosyl-(1-, beta-D-Glucopyranoside, methyl O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
| Molecular Formula | C25H43N3O16 |
|---|---|
| Molecular Weight | 641.26 g/mol |
| LogP | -6.3 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 641.26434 |
| Heavy Atoms | 44 |
| Complexity | 978.0 |
Chemical Identifiers
| CAS Number | 28135-52-6 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC)CO)CO)CO)O)O |
| InChIKey | HUMUJLSYPYYXMI-NSSPCJBKSA-N |
Product Overview
O-methyl-tri-N-acetyl-beta-chitotrioside (CAS 28135-52-6), with molecular formula C25H43N3O16 and molecular weight 641.26 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of O-methyl-tri-N-acetyl-beta-chitotrioside
Property Insights of O-methyl-tri-N-acetyl-beta-chitotrioside
The XLogP value of -6.3 indicates that O-methyl-tri-N-acetyl-beta-chitotrioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 284.0 Ų indicates high polarity, suggesting O-methyl-tri-N-acetyl-beta-chitotrioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-methyl-tri-N-acetyl-beta-chitotrioside has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-methyl-tri-N-acetyl-beta-chitotrioside?
The CAS number of O-methyl-tri-N-acetyl-beta-chitotrioside is 28135-52-6.
What is the molecular formula of O-methyl-tri-N-acetyl-beta-chitotrioside?
The molecular formula of O-methyl-tri-N-acetyl-beta-chitotrioside is C25H43N3O16.
What is the molecular weight of O-methyl-tri-N-acetyl-beta-chitotrioside?
The molecular weight of O-methyl-tri-N-acetyl-beta-chitotrioside is 641.26 g/mol.
Where can I buy O-methyl-tri-N-acetyl-beta-chitotrioside?
You can request a quote for O-methyl-tri-N-acetyl-beta-chitotrioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl-tri-N-acetyl-beta-chitotrioside?
Yes, KEHONG BIO provides custom synthesis services for O-methyl-tri-N-acetyl-beta-chitotrioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.